Electron-gas theory of the chemical shift
作者:
ChristopherJ. Grayce,
RobertA. Harris,
期刊:
Molecular Physics
(Taylor Available online 1990)
卷期:
Volume 71,
issue 1
页码: 1-16
ISSN:0026-8976
年代: 1990
DOI:10.1080/00268979000101611
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
We construct a gauge-invariant approximation of the energy density of an interacting electron gas in the presence of a non-uniform magnetic field. The interaction is approximated by a slowly varying local potential. The magnetic field is a superposition of a constant fieldBand that due to a magnetic dipoleμ, thus making the energy density suitable for direct calculation of chemical-shift tensors of, for example, interacting closed-shell systems. Unlike a similar theory for the magnetic susceptibility, the field-dependent exchange energy does not diverge.
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